Details of the Drug

General Information of Drug (ID: DMYCLAM)

• Drug Name: Imidazopyridine and triazolopyridine compound 2
• Synonyms: PMID28067079-Compound-106
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.3
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C17H10F2N6O2
  IUPAC Name: N-(5-fluoropyridin-2-yl)-6-(5-fluoropyridin-3-yl)oxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
  Canonical SMILES: C1=CC(=NC=C1F)NC(=O)C2=CC(=CN3C2=NN=C3)OC4=CC(=CN=C4)F
  InChI: InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)
  InChIKey: LDLCJJXQJNSUAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118096899
  TTD ID: D0NJ9E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] mGlu5 negative allosteric modulators: a patent review (2013 - 2016).Expert Opin Ther Pat. 2017 Jun;27(6):691-706.